2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C18H37Cl2N3O2 — CID 120799017

IUPAC2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)C(N)C2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-13-9-14(2)11-21(10-13)18(3,4)12-20-17(22)16(19)15-5-7-23-8-6-15;;/h13-16H,5-12,19H2,1-4H3,(H,20,22);2*1H
InChIKeyAYXRVLOVVPXADS-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.46
Rot. Bonds5

About 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120799017) has the molecular formula C18H37Cl2N3O2 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120799017
Molecular FormulaC18H37Cl2N3O2
Molecular Weight398.42 g/mol
Exact Mass397.23
IUPAC Name2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCC1CC(C)CN(C(C)(C)CNC(=O)C(N)C2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-13-9-14(2)11-21(10-13)18(3,4)12-20-17(22)16(19)15-5-7-23-8-6-15;;/h13-16H,5-12,19H2,1-4H3,(H,20,22);2*1H
InChIKeyAYXRVLOVVPXADS-UHFFFAOYSA-N
XLogP2.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800439
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide
CID 120799022
2-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120798074
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119863449
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790613
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793045
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863426
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120799017) is 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride is CC1CC(C)CN(C(C)(C)CNC(=O)C(N)C2CCOCC2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is AYXRVLOVVPXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.2ClH/c1-13-9-14(2)11-21(10-13)18(3,4)12-20-17(22)16(19)15-5-7-23-8-6-15;;/h13-16H,5-12,19H2,1-4H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 398.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120799017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).